cyclohexyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: cyclohexyl-(4-fluorobenzyl)-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]ammonium Formula: C22H27FN3O4+ MolecularWeight: 416.465883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)F)C3CCCCC3

InChI

InChI=1S/C22H26FN3O4/c1-30-21-12-11-19(26(28)29)13-20(21)24-22(27)15-25(18-5-3-2-4-6-18)14-16-7-9-17(23)10-8-16/h7-13,18H,2-6,14-15H2,1H3,(H,24,27)/p+1